(1s 2 2s 2 2p 2 3p 1 ) 4 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | .914477 | -.95943661 |
| 2 | 2p | 1.976668 | .27354736 |
| 3 | 2p | 5.142850 | .04281256 |
| 4 | 4p | 6.088215 | .01507956 |
| 5 | 5p | 3.323104 | -.03242065 |
| 6 | 4p | .817658 | -.11039439 |
| 7 | 5p | .714689 | .00323925 |
| ORB.ENERGY,a.u. | -.333590 | ||
| NORM | 1.000000 | < R > | 4.108854 | < R2 > | 19.257502 | < 1/R > | .311545 | < 1/R**2 > | .202497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.367906 | .80102888 |
| 2 | 2p | 4.099182 | .19109923 |
| 3 | 2p | 9.077668 | .00879217 |
| 4 | 3p | 1.568209 | .06047547 |
| 5 | 4p | 1.367487 | -.02606838 |
| 6 | 5p | 18.404568 | -.00024427 |
| 7 | 5p | 1.304800 | .01076610 |
| 8 | 4p | 64.148289 | .00000196 |
| ORB.ENERGY,a.u. | -1.660700 | ||
| NORM | 1.000000 | < R > | .986564 | < R2 > | 1.207129 | < 1/R > | 1.317931 | < 1/R**2 > | 2.431312 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.677613 | .31072574 |
| 2 | 2s | 2.920544 | -.84523807 |
| 3 | 3s | 2.484111 | -.26854720 |
| 4 | 4s | 9.590567 | .01874901 |
| 5 | 3s | 11.223657 | .00723233 |
| 6 | 5s | 1.772261 | -.00200596 |
| 7 | 5s | 19.180382 | .00072778 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.037153 | < R2 > | 1.277523 | < 1/R > | 1.384404 | < 1/R**2 > | 7.802000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339429 | .73690384 |
| 2 | 1s | 10.790307 | .19548083 |
| 3 | 1s | 2.267919 | .00417599 |
| 4 | 2s | 7.730660 | .09951239 |
| 5 | 3s | 8.876507 | -.02279889 |
| 6 | 4s | 15.084578 | .00462476 |
| 7 | 5s | 3.840252 | -.00077798 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198244 | < R2 > | .052906 | < 1/R > | 7.649769 | < 1/R**2 > | 118.556727 |
Total Energy= -73.42802829 a.u.
Kinetic Energy= 73.43376946 a.u.
Potential Energy= -146.86179775 a.u.
Virial Ratio = -1.99992182